4MNS
Crystal structure of the major pollen allergen Bet v 1-A in complex with P303
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Wavelength(s) | 0.9334 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.928, 58.577, 58.767 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.200 |
| R-factor | 0.13275 |
| Rwork | 0.131 |
| R-free | 0.15969 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fsk |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.473 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.260 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.037 | 0.297 |
| Number of reflections | 41699 | |
| <I/σ(I)> | 20.3 | 2.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.5 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 28% PEG MME 2000, 20mM ammonium sulfate, 0.1M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
